3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide

C10H21N3O2 — CID 76919969

IUPAC3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7-13(6-2)9(14)10(3,4)8(11)12-15/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyMXEKCITZPFTBKR-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.02
Rot. Bonds5

About 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide

3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide (PubChem CID 76919969) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
PubChem CID76919969
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(C)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-5-7-13(6-2)9(14)10(3,4)8(11)12-15/h15H,5-7H2,1-4H3,(H2,11,12)
InChIKeyMXEKCITZPFTBKR-UHFFFAOYSA-N
XLogP1.02
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methyl-N-propylbutanamide
CID 114292634
3-amino-N-ethyl-3-hydroxyimino-N,2,2-trimethylpropanamide
CID 76919558
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
CID 114292695
N-butyl-N,2-diethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920876
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
CID 79796969
N-[2-(dimethylamino)-2-oxoethyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-propylbutanamide
CID 76921580
N-(2-amino-2-oxoethyl)-N-ethyl-2-(N'-hydroxycarbamimidoyl)-2-methylbutanamide
CID 103103726
3-amino-N-butan-2-yl-3-hydroxyimino-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 76921320
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methoxy-2-methylpropanamide
CID 103022071
3-amino-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide
CID 76920014
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
3-amino-3-hydroxyimino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide
CID 77070473

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide (CID 76919969) is 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide is CCCN(CC)C(=O)C(C)(C)C(N)=NO.
What is the InChIKey of 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
The InChIKey is MXEKCITZPFTBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-5-7-13(6-2)9(14)10(3,4)8(11)12-15/h15H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide?
3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide has a molecular weight of 215.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-hydroxyimino-2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 76919969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).